chempirical

1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

C7H6N2O2CAS 5444-02-0150.14 g/mol

Open in Covalent MOL file
OHNHON
NitrilePhenol

Properties

Molecular formula
C7H6N2O2
Molar mass
150.14 g/mol
Exact mass
150.0429 Da
Melting point
304 °C (decomposes)
logP
0.67Crippen estimate
Polar surface area
77.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
5444-02-0
SMILES
Cc1cc(O)nc(O)c1C#N
InChIKey
YRGYYQCOWUULNF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
  • Nicotinonitrile, 2,6-dihydroxy-4-methyl-
  • 2,6-Dihydroxy-3-cyano-4-methylpyridine
  • 3-Cyano-2,6-dihydroxy-4-methylpyridine
  • 3-Cyano-4-methyl-6-hydroxy-2-pyridone
  • 3-Cyano-6-hydroxy-4-methyl-2-pyridone
  • 2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile
  • 3-Cyano-4-methyl-6-hydroxy-2-pyridinone
  • 2,6-Dihydroxy-4-methylnicotinonitrile
  • NSC 19883
  • 3-Cyano-6-hydroxy-4-methylpyridin-2(1H)-one
  • 2-Hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
  • 2-Hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

Work with 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-870 % similar 2,6-Dihydroxy-3,4-dimethylpyridine84540-47-655 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-852 % similar 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-744 % similar 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-644 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-444 % similar 2-Hydroxy-4-methylquinoline607-66-942 % similar 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile27074-03-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2H-Pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-09-8

Elsewhere

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